Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA12 | O43570 | 6/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3968743 | 0.85 | AKR1C3 (0.40) | CYP2A6DYRK1AKDM4EAKR1C3AKR1C2 | |
| SCHEMBL17010916 | 0.84 | CYP2A6 (0.52) | CYP2A6DYRK1ACA2CA12PTPRC | |
| Benzothiophene SCHEMBL3234970 | 0.74 | MEN1 (0.38) | CYP2A6CA12MEN1KMT2ACTNNB1 | |
| SCHEMBL29698806 | 0.73 | CYP2A6 (0.50) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL155613 | 0.73 | CYP2A6 (0.50) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL6398855 | 0.71 | CTNNB1 (0.43) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL29740644 | 0.70 | AKR1C3 (0.52) | CYP2A6KDM4EAKR1C3AKR1C2 | |
| SCHEMBL164774 | 0.70 | CYP2A6 (0.50) | CYP2A6DYRK1ACA2CA12PTPRC | |
| SCHEMBL8637909 | 0.70 | AKR1C3 (0.52) | CYP2A6KDM4EAKR1C3AKR1C2 | |
| SCHEMBL16709693 | 0.70 | CYP2A6 (0.51) | CYP2A6DYRK1ACA2CA12PTPRC |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187836-A1 | SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS | Knoll GmbH (DE) | 2002-03-20 | — | — | EP | disclosed |
| EP-1178993-A1 | THIAZOLODERIATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Knoll GmbH (DE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071549-A1 | THIAZOLODERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | KNOLL GMBH (DE) | 2000-11-30 | — | — | WO | disclosed |
| WO-2000071548-A1 | SUBSTITUTED IMIDAZOTHIAZOLES AS ANTIDEPRESSANT AGENTS | KNOLL GMBH (DE) | 2000-11-30 | — | — | WO | disclosed |